MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Ins-1-P-Cer(d18:0/2-OH-24:0)

MNXM57474 is deprecated and replaced by MNXM159904

	Properties	Image
MNX_ID	MNXM159904
reference	chebi:60406
formula	C₄₈H₉₆NO₁₂P
global charge	0
mol weight	910.265
InChIKey	VNKKSGSHXRHPDZ-LIMFHIGASA-N
InChI	InChI=1S/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(51)48(57)49-39(40(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-60-62(58,59)61-47-45(55)43(53)42(52)44(54)46(47)56/h39-47,50-56H,3-38H2,1-2H3,(H,49,57)(H,58,59)/t39-,40+,41-,42-,43-,44+,45+,46+,47-/m0/s1
SMILES	CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C48H96NO12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(51)48(57)49-39(40(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)38-60-62(58,59)61-47-45(55)43(53)42(52)44(54)46(47)56/h39-47,50-56H,3-38H2,1-2H3,(H,49,57)(H,58,59)/t39-,40+,41-,42-,43-,44+,45+,46+,47-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C@@H:41]([C:48](=[N:49][C@@H:39]([CH2:38][O:60][P:62]([OH:58])(=[O:59])[O:61][C@H:47]1[C@H:45]([OH:55])[C@@H:43]([OH:53])[C@H:42]([OH:52])[C@@H:44]([OH:54])[C@H:46]1[OH:56])[C@@H:40]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:50])[OH:57])[OH:51]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60406 chebi:60406 VNKKSGSHXRHPDZ-LIMFHIGASA-N	Ins-1-P-Cer(d18:0/2-OH-24:0) (2S,3R)-3-hydroxy-2-{[(2S)-hydroxytetracosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate (2S,3R)-3-hydroxy-2-{[(2S)-hydroxytetracosanoyl]amino}octadecyl 1D-myo-inositol hydrogen phosphate IPC-2' (C24) IPC-B' (C24) inositol-P-ceramide B' (18:0/24:0) inositol-P-ceramide B' (C24)
seed.compound:cpd35595 seedM:cpd35595 VNKKSGSHXRHPDZ-LIMFHIGASA-M	IPC-2' (C24) IPC-B' (C24) Ins-1-P-Cer(d18:0/2-OH-24:0) inositol phosphoceramide B' (C24) inositol-P-ceramide B' (18:0/24:0) inositol-P-ceramide B' (C24) inositol-phospho-ceramide B' (C24)
SLM:000508928 slm:000508928 VNKKSGSHXRHPDZ-BLOZUOMESA-M	Inositol-1-phospho-N-(2-hydroxytetracosanoyl)-sphinganine IPC(d18:0/24:0(2OH)) Inositol-1-phospho-N-2-hydroxytetracosanoyl-sphinganine Inositol-1-phosphoceramide (d18:0/24:0(2OH)) N-(2-hydroxytetracosanoyl)-sphinganine-1-phospho-(1'-myo-inositol)
CHEBI:65095 chebi:65095 VNKKSGSHXRHPDZ-LIMFHIGASA-M	Ins-1-P-Cer(d18:0/2-OH-24:0)(1-) (2S,3R)-3-hydroxy-2-{[(2S)-2-hydroxytetracosanoyl]amino}octadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
lipidmaps:LMSP03030034 lipidmapsM:LMSP03030034 VNKKSGSHXRHPDZ-BLOZUOMESA-N	PI-Cer(d18:0/24:0(2OH)) IPC 42:0 N-(2-hydroxytetracosanoyl)-sphinganine-1-phospho-(1'-myo-inositol) O3
metacyc.compound:CPD-16376 metacycM:CPD-16376 VNKKSGSHXRHPDZ-LIMFHIGASA-M	inositol phosphoceramide B' (C24) IPC-2' (C24) IPC-B' (C24) Ins-1-P-Cer(d18:0/2-OH-24:0) inositol-P-ceramide B' (18:0/24:0) inositol-P-ceramide B' (C24) inositol-phospho-ceramide B' (C24)
seedM:M_cpd35595	secondary/obsolete/fantasy identifier